4-(1-Phenylethyl)-1,3-benzenediol

Basic Information

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CAS Number

85-27-8

Molecular Formula

C14H14O2

Molecular Weight

214.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

79.0 to 83.0 deg-C

Boiling Point

244°C/12mmHg

Density

1.171

SMILES

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CC(c1ccccc1)c2ccc(O)cc2O

InChI

InChI=1S/C14H14O2/c1-10(11-5-3-2-4-6-11)13-8-7-12(15)9-14(13)16/h2-10,15-16H,1H3

InChIKey

PQSXNIMHIHYFEE-UHFFFAOYSA-N

LogP

3.2496000000000014

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

211

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-(1-Phenylethyl)benzene-1,3-diol
4-(1-Phenylethyl)resorcinol
4-(alpha-Methylbenzyl)resorcinol
1,3-Benzenediol, 4-(1-phenylethyl)-
4-(1-Phenylethyl)-1,
4-(1-Phenylethyl)-1,3-benzenediol
Phenylethyl Resorcinol
(+/-)-Phenylethyl resorcinol
Symwhite 377
Phenylethyl resorcinol, (+/-)
4-(1-Phenylethyl)-benzene-1,3-diol
2,4-dihydroxydiphenylethane
1,3-Benzenediol, 4-(1-phenylethyl)-, (+/-)
BDBM240731
BCP08432
STL556660
BBL102852

MDL Number

MFCD21648466

FAQ

What is 4-(1-Phenylethyl)-1,3-benzenediol (CAS: 85-27-8)?

4-(1-Phenylethyl)-1,3-benzenediol, also known as 4-(1-Phenylethyl)hydroquinone, is an organic compound with the chemical formula C15H14O2. It is a yellow crystalline solid that exhibits antioxidant properties and is commonly used as a precursor in the synthesis of various pharmaceutical and industrial compounds. Its structure consists of a hydroquinone core with a phenylethyl group attached at the 4-position.

What are the main uses of 4-(1-Phenylethyl)-1,3-benzenediol (CAS: 85-27-8)?

4-(1-Phenylethyl)-1,3-benzenediol is primarily used in the pharmaceutical industry as an intermediate in the production of drugs, particularly those with antioxidant properties. It also finds applications in the synthesis of dyes, perfumes, and other specialty chemicals. In research, it is utilized for its chemical reactivity and potential biological activities, making it relevant in drug development and material science.

Is 4-(1-Phenylethyl)-1,3-benzenediol (CAS: 85-27-8) safe?

4-(1-Phenylethyl)-1,3-benzenediol is generally considered safe when handled properly, but it should be treated with caution due to its potential to cause skin and eye irritation. Safety data sheets recommend using appropriate personal protective equipment (PPE) such as gloves and goggles. It is important to follow safety standards and ensure proper ventilation to minimize exposure risks.

How should 4-(1-Phenylethyl)-1,3-benzenediol (CAS: 85-27-8) be stored?

4-(1-Phenylethyl)-1,3-benzenediol should be stored in a cool, dry, and well-ventilated place, away from light. It is typically kept in sealed containers made of glass or high-density polyethylene (HDPE) to prevent moisture absorption. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and prolong shelf life.